6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | V020-8398 |
Compound Name: | 6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one |
Molecular Weight: | 549.12 |
Molecular Formula: | C30 H37 Cl N6 O2 |
Salt: | not_available |
Smiles: | CCC(C(N1CCCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccccc2[Cl])N=1)=O)=O)c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0647 |
logD: | 3.0827 |
logSw: | -4.268 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.842 |
InChI Key: | JIOAISHSQZFUNU-RUZDIDTESA-N |